3-ethyl-5-methylphosphanylaniline

C9H14NP — CID 166895629

IUPAC3-ethyl-5-methylphosphanylaniline
SMILESCCc1cc(N)cc(PC)c1
InChIInChI=1S/C9H14NP/c1-3-7-4-8(10)6-9(5-7)11-2/h4-6,11H,3,10H2,1-2H3
InChIKeyXHQCMQVTQGGHHJ-UHFFFAOYSA-N
MW167.19 g/mol
LogP1.76
Rot. Bonds2

About 3-ethyl-5-methylphosphanylaniline

3-ethyl-5-methylphosphanylaniline (PubChem CID 166895629) has the molecular formula C9H14NP and a molecular weight of 167.19 g/mol. Its IUPAC name is 3-ethyl-5-methylphosphanylaniline.

Molecular Properties

Compound Name3-ethyl-5-methylphosphanylaniline
PubChem CID166895629
Molecular FormulaC9H14NP
Molecular Weight167.19 g/mol
Exact Mass167.09
IUPAC Name3-ethyl-5-methylphosphanylaniline
SMILESCCc1cc(N)cc(PC)c1
InChIInChI=1S/C9H14NP/c1-3-7-4-8(10)6-9(5-7)11-2/h4-6,11H,3,10H2,1-2H3
InChIKeyXHQCMQVTQGGHHJ-UHFFFAOYSA-N
XLogP1.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methylphosphanylaniline?
The IUPAC name of 3-ethyl-5-methylphosphanylaniline (CID 166895629) is 3-ethyl-5-methylphosphanylaniline.
What is the SMILES notation for 3-ethyl-5-methylphosphanylaniline?
The canonical SMILES for 3-ethyl-5-methylphosphanylaniline is CCc1cc(N)cc(PC)c1.
What is the InChIKey of 3-ethyl-5-methylphosphanylaniline?
The InChIKey is XHQCMQVTQGGHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14NP/c1-3-7-4-8(10)6-9(5-7)11-2/h4-6,11H,3,10H2,1-2H3.
What are the key properties of 3-ethyl-5-methylphosphanylaniline?
3-ethyl-5-methylphosphanylaniline has a molecular weight of 167.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methylphosphanylaniline is sourced from PubChem (CID 166895629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).